4-[[4-[4-[2-[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-ylmethyl)phenyl]ethynyl]phenyl]-2-oxo-3-propan-2-ylimidazolidin-1-yl]methyl]-5-hydroxy-1H-pyrimidin-6-one

C32H35N5O4 — CID 167451572

IUPAC4-[[4-[4-[2-[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-ylmethyl)phenyl]ethynyl]phenyl]-2-oxo-3-propan-2-ylimidazolidin-1-yl]methyl]-5-hydroxy-1H-pyrimidin-6-one
SMILESCC(C)N1C(=O)N(Cc2nc[nH]c(=O)c2O)CC1c1ccc(C#Cc2ccc(CN3CC4COCC4C3)cc2)cc1
InChIInChI=1S/C32H35N5O4/c1-21(2)37-29(17-36(32(37)40)16-28-30(38)31(39)34-20-33-28)25-11-9-23(10-12-25)4-3-22-5-7-24(8-6-22)13-35-14-26-18-41-19-27(26)15-35/h5-12,20-21,26-27,29,38H,13-19H2,1-2H3,(H,33,34,39)
InChIKeyDUBZPNVZLFZPEM-UHFFFAOYSA-N
MW553.66 g/mol
LogP3.34
Rot. Bonds6

About 4-[[4-[4-[2-[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-ylmethyl)phenyl]ethynyl]phenyl]-2-oxo-3-propan-2-ylimidazolidin-1-yl]methyl]-5-hydroxy-1H-pyrimidin-6-one

4-[[4-[4-[2-[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-ylmethyl)phenyl]ethynyl]phenyl]-2-oxo-3-propan-2-ylimidazolidin-1-yl]methyl]-5-hydroxy-1H-pyrimidin-6-one (PubChem CID 167451572) has the molecular formula C32H35N5O4 and a molecular weight of 553.66 g/mol. Its IUPAC name is 4-[[4-[4-[2-[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-ylmethyl)phenyl]ethynyl]phenyl]-2-oxo-3-propan-2-ylimidazolidin-1-yl]methyl]-5-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[4-[4-[2-[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-ylmethyl)phenyl]ethynyl]phenyl]-2-oxo-3-propan-2-ylimidazolidin-1-yl]methyl]-5-hydroxy-1H-pyrimidin-6-one
PubChem CID167451572
Molecular FormulaC32H35N5O4
Molecular Weight553.66 g/mol
Exact Mass553.27
IUPAC Name4-[[4-[4-[2-[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-ylmethyl)phenyl]ethynyl]phenyl]-2-oxo-3-propan-2-ylimidazolidin-1-yl]methyl]-5-hydroxy-1H-pyrimidin-6-one
SMILESCC(C)N1C(=O)N(Cc2nc[nH]c(=O)c2O)CC1c1ccc(C#Cc2ccc(CN3CC4COCC4C3)cc2)cc1
InChIInChI=1S/C32H35N5O4/c1-21(2)37-29(17-36(32(37)40)16-28-30(38)31(39)34-20-33-28)25-11-9-23(10-12-25)4-3-22-5-7-24(8-6-22)13-35-14-26-18-41-19-27(26)15-35/h5-12,20-21,26-27,29,38H,13-19H2,1-2H3,(H,33,34,39)
InChIKeyDUBZPNVZLFZPEM-UHFFFAOYSA-N
XLogP3.34
TPSA102.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.66
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[[4-[4-[2-[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-ylmethyl)phenyl]ethynyl]phenyl]-2-oxo-3-propan-2-ylimidazolidin-1-yl]methyl]-5-hydroxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-[2-[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-ylmethyl)phenyl]ethynyl]phenyl]-2-oxo-3-propan-2-ylimidazolidin-1-yl]methyl]-5-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[[4-[4-[2-[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-ylmethyl)phenyl]ethynyl]phenyl]-2-oxo-3-propan-2-ylimidazolidin-1-yl]methyl]-5-hydroxy-1H-pyrimidin-6-one (CID 167451572) is 4-[[4-[4-[2-[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-ylmethyl)phenyl]ethynyl]phenyl]-2-oxo-3-propan-2-ylimidazolidin-1-yl]methyl]-5-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[4-[4-[2-[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-ylmethyl)phenyl]ethynyl]phenyl]-2-oxo-3-propan-2-ylimidazolidin-1-yl]methyl]-5-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[4-[4-[2-[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-ylmethyl)phenyl]ethynyl]phenyl]-2-oxo-3-propan-2-ylimidazolidin-1-yl]methyl]-5-hydroxy-1H-pyrimidin-6-one is CC(C)N1C(=O)N(Cc2nc[nH]c(=O)c2O)CC1c1ccc(C#Cc2ccc(CN3CC4COCC4C3)cc2)cc1.
What is the InChIKey of 4-[[4-[4-[2-[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-ylmethyl)phenyl]ethynyl]phenyl]-2-oxo-3-propan-2-ylimidazolidin-1-yl]methyl]-5-hydroxy-1H-pyrimidin-6-one?
The InChIKey is DUBZPNVZLFZPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O4/c1-21(2)37-29(17-36(32(37)40)16-28-30(38)31(39)34-20-33-28)25-11-9-23(10-12-25)4-3-22-5-7-24(8-6-22)13-35-14-26-18-41-19-27(26)15-35/h5-12,20-21,26-27,29,38H,13-19H2,1-2H3,(H,33,34,39).
What are the key properties of 4-[[4-[4-[2-[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-ylmethyl)phenyl]ethynyl]phenyl]-2-oxo-3-propan-2-ylimidazolidin-1-yl]methyl]-5-hydroxy-1H-pyrimidin-6-one?
4-[[4-[4-[2-[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-ylmethyl)phenyl]ethynyl]phenyl]-2-oxo-3-propan-2-ylimidazolidin-1-yl]methyl]-5-hydroxy-1H-pyrimidin-6-one has a molecular weight of 553.66 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-[2-[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-ylmethyl)phenyl]ethynyl]phenyl]-2-oxo-3-propan-2-ylimidazolidin-1-yl]methyl]-5-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 167451572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).